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Physical Review C

Self-consistent extension of random-phase approximation enlarged beyond particle-hole configurations

D. Gambacurta, F. Catara, M. Grasso

Published Jul 6, 2009• 10 citations
Publisher

Abstract

We present a new extension of the random-phase approximation method: the quasiboson approximation is avoided and correlations are included in the ground state without resorting to renormalized operators or renormalized matrix elements; the configuration space is enlarged by considering also elementary excitations corresponding to the annihilation of a particle (hole) and the creation of another particle (hole) on the correlated ground state, together with the particle-hole ones. Two new and relevant advantages of this method with respect to the existing extensions of random-phase approximation are highlighted: (i) the energy weighted sum rules are completely satisfied; (ii) the problem of the existence of nonphysical states in the spectrum, related to the inclusion of particle-particle and hole-hole configurations, is solved: a way to unambiguously disentangle physical from nonphysical states in the excitation spectrum is presented. The method is applied here to a three-level Lipkin model where its quality can be judged by comparing with the exact results. Both advantages (i) and (ii) shall lead to feasible future applications of this extended RPA to several realistic cases.

DOI
10.1103/physrevc.80.014303

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We present a new extension of the random-phase approximation method: the quasiboson approximation is avoided and correlations are included in the ground state without resorting to renormalized operators or renormalized matrix elements; the configuration space is enlarged by considering also elementary excitations corresponding to the annihilation of a particle (hole) and the creation of another particle (hole) on the correlated ground state, together with the particle-hole ones. Two new and relevant advantages of this method with respect to the existing extensions of random-phase approximation are highlighted: (i) the energy weighted sum rules are completely satisfied; (ii) the problem of the existence of nonphysical states in the spectrum, related to the inclusion of particle-particle and hole-hole configurations, is solved: a way to unambiguously disentangle physical from nonphysical states in the excitation spectrum is presented. The method is applied here to a three-level Lipkin model where its quality can be judged by comparing with the exact results. Both advantages (i) and (ii) shall lead to feasible future applications of this extended RPA to several realistic cases.
A limitation common to all extensions of random-phase approximation including only particle-hole configurations is that they violate to some extent the energy weighted sum rules. Considering one such extension, the improved RPA (IRPA), already used to study the electronic properties of metallic clusters, we show how it can be generalized in order to eliminate this drawback. This is achieved by enlarging the configuration space, including also elementary excitations corresponding to the annihilation of a particle (hole) and the creation of another particle (hole) on the correlated ground state. The approach is tested within a solvable 3-level model.
The second random-phase approximation (SRPA) is the simplest and most natural extension of the RPA. It enlarges the space of the elementary modes introduced to describe the collective states by adding 2 particle -2 hole excitations to the 1 particle -1 hole ones of the RPA. In deriving the SRPA equations, use is made, as in the RPA, of the so-called quasi-boson approximation (QBA) where expectation values in the ground state of the system are approximated by their values in the uncorrelated reference state. This, however, has been shown to imply a degree of approximation worse than that in the RPA. It is, therefore, necessary to improve the QBA by considering a reference state which contains some correlations. Having in mind to perform such calculations for realistic systems, we consider a simple extension of the SRPA in which the reference state contains 2 particle - 2 hole correlations. The quality of such an extension is tested by applying it to a solvable three-level model and found to be good.
We present a method for the treatment of correlations in finite Fermi systems in a more consistent way than the random phase approximation (RPA). The main differences with respect to previous approaches are underlined and discussed. In particular, no use of renormalized operators is made. By means of the method of linearization of equations of motion, we derive a set of RPA-like equations depending only on the one-body density matrix. The latter is no more assumed to be diagonal and it is expressed in terms of the XXX and YYY amplitudes of the particle-hole phonon operators. This set of nonlinear equations is solved via an iterative procedure, which allows us to calculate the energies and the wave functions of the excited states. After presenting our approach in its general formulation, we test its quality by using metal clusters as a good test laboratory for a generic many-body system. Comparison to RPA shows significant improvements. We discuss also how the present approach can be further extended beyond the particle-hole configuration space, getting an approximation scheme in which energy weighted sum rules are exactly preserved, thus solving a problem common to all extension of RPA proposed until now. The implementation of such approach will be afforded in a future work.
We present a method which allows us to treat correlations in finite Fermi systems in a more consistent way than the random-phase approximation (RPA). The quasiboson approximation (QBA), where expectation values in the ground state of the system are approximated by their values in the uncorrelated reference state, is avoided in our approach where the correlated ground state is always used. We derive a closed, nonlinear set of equations which determines the energies and wave functions of the excited states as well as the single-particle occupation numbers in the ground state. As an example we apply to metallic clusters a simplified version of the approach which represents, however, a significant improvement over previous attempts to go towards a self-consistent RPA. We show that our method allows one to correct for the inadequacy of standard RPA in cases where the use of QBA becomes questionable.
It is shown that the random-phase approximation (RPA) method with its nonlinear higher generalization, which was previously considered as approximation except for a very limited case, reproduces the exact solutions of the Lipkin model. The nonlinear higher RPA is based on an equation nonlinear on eigenvectors and includes many particle-many hole components in the creation operator of the excited states. We demonstrate the exact character of solutions analytically for the particle number [Formula: see text] and, numerically, for [Formula: see text]. This finding indicates that the nonlinear higher RPA is equivalent to the exact Schrödinger equation, which opens up new possibilities for realistic calculations in many-body problems.
An approach for particle-hole correlation functions, based on the so-called self-consistent random-phase approximation is developed. This leads to a fully self-consistent RPA-like theory that satisfies the fff-sum rule and several other theorems. As a first step, a simpler self-consistent approach, the renormalized RPA, is solved numerically in the one-dimensional Hubbard model. The charge and the longitudinal spin susceptibility, the momentum distribution, and several ground-state properties are calculated and compared with the exact results. Especially at half-filling, our approach provides quite promising results and matches the exact behavior apart from a general prefactor. The strong-coupling limit of our approach can be described analytically.